1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

C15H21N3O2S — CID 51090788

IUPAC1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCC(C)=CC(=O)N1CCCC(C(=O)Nc2nc(C)cs2)C1
InChIInChI=1S/C15H21N3O2S/c1-10(2)7-13(19)18-6-4-5-12(8-18)14(20)17-15-16-11(3)9-21-15/h7,9,12H,4-6,8H2,1-3H3,(H,16,17,20)
InChIKeyXGMCVVJVKKQXEY-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.59
Rot. Bonds3

About 1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 51090788) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID51090788
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCC(C)=CC(=O)N1CCCC(C(=O)Nc2nc(C)cs2)C1
InChIInChI=1S/C15H21N3O2S/c1-10(2)7-13(19)18-6-4-5-12(8-18)14(20)17-15-16-11(3)9-21-15/h7,9,12H,4-6,8H2,1-3H3,(H,16,17,20)
InChIKeyXGMCVVJVKKQXEY-UHFFFAOYSA-N
XLogP2.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 47016276
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 167986693
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 50794744
ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86922889
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269
1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 110246586
(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 124569159
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47118869
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90514767

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 51090788) is 1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is CC(C)=CC(=O)N1CCCC(C(=O)Nc2nc(C)cs2)C1.
What is the InChIKey of 1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is XGMCVVJVKKQXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10(2)7-13(19)18-6-4-5-12(8-18)14(20)17-15-16-11(3)9-21-15/h7,9,12H,4-6,8H2,1-3H3,(H,16,17,20).
What are the key properties of 1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51090788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).